General Information of the Compound
| Compound ID |
CP0014344
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| Compound Name |
2-[(1S)-1-[(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
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| Structure |
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| Formula |
C20H16FN7O
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| Molecular Weight |
389.394
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| Canonical SMILES |
C[C@H](Nc1ncnc2[nH]cc(F)c12)c1nn2cccc2c(=O)n1-c1ccccc1
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| InChI |
InChI=1S/C20H16FN7O/c1-12(25-18-16-14(21)10-22-17(16)23-11-24-18)19-26-27-9-5-8-15(27)20(29)28(19)13-6-3-2-4-7-13/h2-12H,1H3,(H2,22,23,24,25)/t12-/m0/s1
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| InChIKey |
XCNFGCBUHGJVHN-LBPRGKRZSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound